CID 57415691

9,10-anthracenediboronic acid bis(pinacol) ester

Structural Information

Molecular Formula
C26H32B2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC=CC3=C(C4=CC=CC=C24)B5OC(C(O5)(C)C)(C)C
InChI
InChI=1S/C26H32B2O4/c1-23(2)24(3,4)30-27(29-23)21-17-13-9-11-15-19(17)22(20-16-12-10-14-18(20)21)28-31-25(5,6)26(7,8)32-28/h9-16H,1-8H3
InChIKey
ZLXSWNVYGSZXOP-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

430.24866 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.25594 194.3
[M+Na]+ 453.23788 207.1
[M-H]- 429.24138 209.8
[M+NH4]+ 448.28248 213.2
[M+K]+ 469.21182 206.8
[M+H-H2O]+ 413.24592 188.8
[M+HCOO]- 475.24686 209.0
[M+CH3COO]- 489.26251 207.1
[M+Na-2H]- 451.22333 197.4
[M]+ 430.24811 203.1
[M]- 430.24921 203.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe